(4-Chloro-2-nitro-phenyl)-Methyl-aMine
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(4-Chloro-2-nitro-phenyl)-Methyl-aMine
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CAS No:
15950-17-1
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Formula:
C7H7ClN2O2
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Chemical Name:
(4-Chloro-2-nitro-phenyl)-Methyl-aMine
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Synonyms:
4-chloro-N-methyl-2-nitroaniline;Benzenamine, 4-chloro-N-methyl-2-nitro-;SCHEMBL1982270;SCHEMBL17145920;CTK0E6897;DTXSID70371638;4-Chloro-2-nitro-N-methylaniline;N-Methyl-2-nitro-4-chloroaniline;CS-D0533;KS-00000RI7
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CAS No:
Characteristics
57.8
2.8
1.406±0.06 g/cm3(Predicted)
108-109 °C
317.7±27.0 °C(Predicted)
146.0±23.7 °C
1.632
(4-Chloro-2-nitro-phenyl)-Methyl-aMine Use and Manufacturing
A solution of 1, 4-dichloro-2-nitrobenzene (5 g, 26 mmol) in 30percent methylamine alcohol solution (50 mL) was stirred at 50 °C for 4 h. The mixture was quenched with water (50 mL) and extracted with ethyl acetate (80 mL x 3). The organic layer was washed with brine (150 mL x 2) and then evaporated to give Compound 10A (4 g, yield 84percent) as a red solid. LC-MS (m/z): 187 [M+l]
Computed Properties
Molecular Weight:186.59
XLogP3:2.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:186.0196052
Monoisotopic Mass:186.0196052
Topological Polar Surface Area:57.8
Heavy Atom Count:12
Complexity:171
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
(4-Chloro-2-nitro-phenyl)-Methyl-aMine
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